phenacyl 2-methylsulfanylpyrimidine-5-carboxylate

Systemtic Name: phenacyl 2-methylsulfanylpyrimidine-5-carboxylate Openeye Name: phenacyl 2-methylsulfanylpyrimidine-5-carboxylate CAS Name: 2-(methylthio)-5-pyrimidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)pyrimidine-5-carboxylic acid phenacyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=NC=C(C=N1)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12N2O3S/c1-20-14-15-7-11(8-16-14)13(18)19-9-12(17)10-5-3-2-4-6-10/h2-8H,9H2,1H3